Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UI42
UPID:
CBPA4_HUMAN
Alternative names:
Carboxypeptidase A3
Alternative UPACC:
Q9UI42; B7Z576; Q86UY9
Background:
Carboxypeptidase A4, also known as Carboxypeptidase A3, is a metalloprotease implicated in the histone hyperacetylation pathway. It selectively cleaves C-terminal amino acids, showing preference for Phe, Leu, Ile, Met, Tyr, and Val. This specificity suggests a critical role in protein processing and regulation.
Therapeutic significance:
Understanding the role of Carboxypeptidase A4 could open doors to potential therapeutic strategies. Its involvement in protein processing and histone modification pathways positions it as a key target for drug discovery, aiming to modulate its activity for therapeutic benefits.